The1-Methyl-1H-pyrazole-4-boronic acid, with the CAS registry number 847818-55-7, has the IUPAC name (1-methylpyrazol-4-yl)boronic acid. Its molecular formula is C4H7BN2O2 and its molecular weight is 125.92. Additionally, its product categories are Pyrazole Series; Boronic Acids & Esters; Pyrazoles & Triazoles; Boronic Acids & Esters; Pyrazoles & Triazoles.
Other characteristics of the 1-Methyl-1H-pyrazole-4-boronic acid can be summarised as followings: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.48; (4)ACD/LogD (pH 7.4): -1.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.93; (8)ACD/KOC (pH 7.4): 3.67; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 36.28 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 31.78 cm3; (15)Molar Volume: 102.3 cm3; (16)Polarizability: 12.6×10-24cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 149.1 °C; (20)Enthalpy of Vaporization: 59.63 kJ/mol; (21)Boiling Point: 323 °C at 760 mmHg; (22)Vapour Pressure: 0.000111 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OB(O)c1cnn(c1)C
2.InChI: InChI=1/C4H7BN2O2/c1-7-3-4(2-6-7)5(8)9/h2-3,8-9H,1H3
3.InChIKey: RYGOBSYXIIUFOR-UHFFFAOYAC
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View